SCHEMBL2923368

SCHEMBL2923368

OC1CCCc2ccsc21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.44
CXCR2 P25025 1/20 0.38
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR7 P34969 1/20 0.36
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12891560 0.76 TAAR1 (0.44) TAAR1CXCR2HTR1ADRD2HTR7
SCHEMBL16545200 0.76 TAAR1 (0.44) TAAR1CXCR2HTR1ADRD2HTR7
SCHEMBL6647596 0.76 TAAR1 (0.47) TAAR1CXCR2HTR1ADRD2HTR7
SCHEMBL12891564 0.76 TAAR1 (0.44) TAAR1CXCR2HTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL11539056 0.74 TAAR1 (0.46) TAAR1HTR1ADRD2HTR7NOS3
SCHEMBL13344500 0.72 TAAR1 (0.39) TAAR1HTR1ADRD2HTR7
SCHEMBL16543102 0.72 TAAR1 (0.41) TAAR1CXCR2HTR1ADRD2HTR7
SCHEMBL2040174 0.72 TAAR1 (0.41) TAAR1CXCR2HTR1ADRD2HTR7
SCHEMBL16545303 0.72 TAAR1 (0.44) TAAR1HTR1ADRD2HTR7
SCHEMBL18723617 0.72 TAAR1 (0.41) TAAR1CXCR2HTR1ADRD2HTR7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635839-B1 BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONES AND THEIR USE IN THERAPY ABBOTT HEALTHCARE PRODUCTS BV (NL) 2010-09-01 EP disclosed
EP-1828197-B1 NOVEL SUBSTITUTED THIOPHENEPYRIMIDINONE DERIVATIVES AS INHIBITORS OF 17ß-HYDROXYSTEROID DEHYDROGENASE SOLVAY PHARM GMBH (DE) 2009-05-13 EP disclosed
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 US disclosed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 US disclosed
EP-1828197-A1 NOVEL SUBSTITUTED THIOPHENEPYRIMIDINONE DERIVATIVES AS INHIBITORS OF 17ß-HYDROXYSTEROID DEHYDROGENASE Solvay Pharmaceuticals GmbH (DE) 2007-09-05 EP disclosed
WO-2006063615-A1 NOVEL SUBSTITUTED THIOPHENEPYRIMIDINONE DERIVATIVES AS INHIBITORS OF 17β-HYDROXYSTEROID DEHYDROGENASE SOLVAY PHARMACEUTICALS GMBH (DE) 2006-06-22 WO disclosed
EP-1635839-A2 BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONES AND THEIR USE IN THERAPY Solvay Pharmaceuticals B.V. (NL) 2006-03-22 EP disclosed
US-20050176742-A1 Novel compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2005-08-11 US disclosed
WO-2005032527-A2 BENZO (4, 5) THIENO (2, 3-D) PYRIMIDIN-4-ONES AND THEIR USE IN THERAPY SOLVAY PHARMACEUTICALS B.V. (NL) 2005-04-14 WO disclosed
US-20050038053-A1 Novel compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2005-02-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050176742-A1 Novel compounds and their use in therapy HSD17B11, HSD17B2, HSD17B1 TAAR1 2447/4885CXCR2 4031/4885HTR1A 1792/4885
US-20050038053-A1 Novel compounds and their use in therapy HSD17B11, HSD17B2, HSD17B1 TAAR1 2447/4885CXCR2 4031/4885HTR1A 1792/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.